Geometry & MOs

Info

ID:	172166
PubChem CID:	75473799
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	1.98
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-benzoylpiperidin-3-yl)-1H-pyrazol-4-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=C(NN=C1)C2CCCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations